ChemSpider 2D Image | [(1S,4R)-4-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-cyclopenten-1-yl]methyl phosphate | C11H12N5O5P

[(1S,4R)-4-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-cyclopenten-1-yl]methyl phosphate

  • Molecular FormulaC11H12N5O5P
  • Average mass325.218 Da
  • Monoisotopic mass325.058716 Da
  • ChemSpider ID128920297

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(1S,4R)-4-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-cyclopenten-1-yl]methyl phosphate [ACD/IUPAC Name]
[(1S,4R)-4-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-cyclopenten-1-yl]methylphosphat [German] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1R,4S)-4-[(phosphonooxy)methyl]-2-cyclopenten-1-yl]-, ion(2-) [ACD/Index Name]
Phosphate de [(1S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-cyclopentén-1-yl]méthyle [French] [ACD/IUPAC Name]
(-)-carbovir 5'-monophosphate dianion
(-)-carbovir 5'-phosphate dianion
(-)-carbovir monophosphate dianion
(-)-carbovir phosphate dianion
[(1S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)cyclopent-2-en-1-yl]methyl phosphate
carbovir 5'-monophosphate dianion
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  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion that is the dianion of carbovir monophosphate, arising from deprotonation of the monophosphate OH groups; major species at pH 7.3. ChEBI CHEBI:189053

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.52
ACD/LogD (pH 5.5): -5.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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